SCHEMBL1718562

SCHEMBL1718562

O=C(c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Cl)N(Cc1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.58
KDM4E B2RXH2 12/20 0.58
KMT2A Q03164 5/20 0.58
LMNA P02545 2/20 0.58
MEN1 O00255 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 2/20 0.49
HPGD P15428 7/20 0.48
GAA P10253 5/20 0.48
MAPT P10636 4/20 0.48
GLA P06280 2/20 0.48
TAAR1 Q96RJ0 1/20 0.48
APOBEC3A P31941 1/20 0.48
ESR1 P03372 1/20 0.47
POLB P06746 1/20 0.47
BLM P54132 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
USP2 O75604 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1718366 0.89 ALDH1A1 (0.57) ALDH1A1KDM4EKMT2ALMNAMEN1
SCHEMBL1719998 0.85 USP2 (0.53) ALDH1A1KDM4EKMT2AHTTHPGD
SCHEMBL1719694 0.84 USP2 (0.51) ALDH1A1KDM4EHTTHPGDGAA
SCHEMBL1718886 0.84 USP2 (0.51) ALDH1A1KDM4EKMT2AHTTHPGD
SCHEMBL1718568 0.82 KDM4E (0.65) ALDH1A1KDM4EKMT2ALMNAMEN1
SCHEMBL1717796 0.79 KMT2A (0.62) ALDH1A1KDM4EKMT2ALMNAMEN1
SCHEMBL1718881 0.77 USP2 (0.60) ALDH1A1KDM4ELMNAHTTHPGD
SCHEMBL1719435 0.77 KMT2A (0.60) ALDH1A1KDM4EKMT2ALMNAMEN1
SCHEMBL1717900 0.77 ALDH1A1 (0.73) ALDH1A1KDM4EKMT2ALMNAMEN1
SCHEMBL1719114 0.76 KMT2A (0.66) ALDH1A1KDM4EKMT2ALMNAMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1506196-B1 PYRAZOLOPYRIMIDINES AS SODIUM CHANNEL INHIBITORS ICAGEN INC (US) 2012-01-18 EP claimed
EP-1506196-B1 PYRAZOLOPYRIMIDINES AS SODIUM CHANNEL INHIBITORS ICAGEN INC (US) 2012-01-18 EP disclosed